Mrv1652303302020012D 56 55 0 0 1 0 999 V2000 19.0855 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8000 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5145 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2289 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9434 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6579 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3724 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0868 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8013 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5158 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2302 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9447 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6592 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3737 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0881 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8026 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5171 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2315 10.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9460 11.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6605 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3749 11.8440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 33.3749 12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 13.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 13.9065 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 33.2644 13.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9144 13.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 14.7315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 15.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 15.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5184 16.3815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 11.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 12.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5184 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2328 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9473 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6618 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3762 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0907 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8052 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5197 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.2341 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.9486 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.6631 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.3775 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.0920 11.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8065 11.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.8065 12.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5210 13.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.5210 13.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2354 14.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.2354 15.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9499 15.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.9499 16.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0894 12.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 22 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 46 45 1 4 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 22 56 1 1 0 0 0 M END > CDB001072 > CDB > [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCC=CCCCCCCCC > InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,43H,3-16,18,20-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1 > KVCSFWAPYZJNRB-VZUYHUTRSA-N > C45H88NO8P > 802.1559 > 801.624755309 > 5 > 143 > 102.18489070987022 > 0 > 2 > 0 > 0 > (2-aminoethoxy)[(2R)-2-(docos-13-enoyloxy)-3-(octadecanoyloxy)propoxy]phosphinic acid > 9.42 > 13.645543022470086 > -7.27 > 0 > 0 > 0 > 1.8688003136581992 > 9.999929336362278 > 134.38000000000002 > 228.92849999999999 > 46 > 0 > 4.29e-05 g/l > 2-aminoethoxy((2R)-2-(docos-13-enoyloxy)-3-(octadecanoyloxy)propoxy)phosphinic acid > 0 > CDB001072 > PE(18:0/22:1(13Z)) $$$$